CID 135408600

28058-30-2

Structural Information

Molecular Formula
C12H9BrN4O3
SMILES
C1=CC(=C(C=C1Br)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C12H9BrN4O3/c13-9-1-3-11(18)8(5-9)6-15-16-12-4-2-10(7-14-12)17(19)20/h1-7,18H,(H,14,16)/b15-6-
InChIKey
ZQIADEYGHBCJQP-UUASQNMZSA-N
Compound name
4-bromo-2-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.9858 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.99308 162.0
[M+Na]+ 358.97502 171.1
[M-H]- 334.97852 170.0
[M+NH4]+ 354.01962 176.4
[M+K]+ 374.94896 155.0
[M+H-H2O]+ 318.98306 162.5
[M+HCOO]- 380.98400 186.0
[M+CH3COO]- 394.99965 202.8
[M+Na-2H]- 356.96047 171.8
[M]+ 335.98525 178.9
[M]- 335.98635 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.